SCHEMBL894882

SCHEMBL894882

CS(=O)(=O)N(c1ccccc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SRD5A2 P31213 1/20 0.45
TP53 P04637 1/20 0.44
MCL1 Q07820 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
NR3C2 P08235 1/20 0.43
ALOX5 P09917 2/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
NSD2 O96028 2/20 0.42
ESR1 P03372 1/20 0.42
APEX1 P27695 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5720785 0.84 ALDH1A1 (0.47) TSHRDAONAPRTKMT2APOLB
SCHEMBL1704542 0.84 PKM (0.50) KMT2AMEN1HPGDNR3C2ESR1
SCHEMBL5928621 0.80 TPMT (0.47) KMT2APOLBHPGDTAS2R14NSD2
SCHEMBL7863476 0.80 KMT2A (0.43) TSHRKMT2AMEN1NPC1POLB
SCHEMBL5928486 0.79 NSD2 (0.51) TSHRCES2CES1TP53KMT2A
SCHEMBL5720761 0.79 RECQL (0.39) TSHRTP53KMT2AMEN1POLB
SCHEMBL5720737 0.79 DHODH (0.46) MCL1ALOX5
SCHEMBL5720746 0.79 ALDH1A1 (0.40) KMT2APOLBNSD2ESR1APEX1
SCHEMBL5720756 0.79 ALDH1A1 (0.55) KMT2AMEN1POLBNSD2ESR1
SCHEMBL6125794 0.79 TSHR (0.50) TSHRSRD5A2TP53KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 US disclosed
EP-2303013-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME Fasgen, Inc. (US) 2011-04-06 EP disclosed
WO-2010005922-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME FASGEN, INC. (US) 2010-01-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same LCAT, DGAT2, SOAT2 TSHR 4223/4885DAO 1767/4885NAPRT 256/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.